USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 712 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 HIS : no HE2:sc= 0.692 K(o=1.6,f=-1.6) USER MOD Set 1.2: A 102 TYR OH : rot 54:sc= 0.911 USER MOD Single : A 4 ASN : amide:sc= -0.537 K(o=-0.54,f=-4.1!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0327 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= -0.0135 (180deg=-0.147) USER MOD Single : A 22 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.2!) USER MOD Single : A 23 TYR OH : rot -66:sc= 0.264 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.019 X(o=-0.019,f=-0.12) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -20:sc= 0.596 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 0.454 (180deg=0.124) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.085) USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 90 SER OG : rot 120:sc= 1.92 USER MOD Single : A 91 SER OG : rot 180:sc= 0.209 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 102:sc= 0.67 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 35:sc= 0.477 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.154 USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 3 7.669 -0.791 10.032 1.00 0.00 N ATOM 28 CA ILE A 3 6.224 -0.929 9.969 1.00 0.00 C ATOM 29 C ILE A 3 5.819 -1.368 8.561 1.00 0.00 C ATOM 30 O ILE A 3 5.941 -0.601 7.608 1.00 0.00 O ATOM 31 CB ILE A 3 5.543 0.361 10.431 1.00 0.00 C ATOM 32 CG1 ILE A 3 5.951 0.715 11.863 1.00 0.00 C ATOM 33 CG2 ILE A 3 4.024 0.264 10.275 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.457 2.111 12.244 1.00 0.00 C ATOM 0 HA ILE A 3 5.885 -1.705 10.655 1.00 0.00 H new ATOM 0 HB ILE A 3 5.882 1.175 9.790 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.541 -0.021 12.554 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.036 0.671 11.957 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.564 1.193 10.610 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.776 0.093 9.227 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.649 -0.564 10.876 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.760 2.338 13.266 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.888 2.847 11.566 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.370 2.144 12.172 1.00 0.00 H new ATOM 46 N ASN A 4 5.344 -2.603 8.475 1.00 0.00 N ATOM 47 CA ASN A 4 5.070 -3.210 7.184 1.00 0.00 C ATOM 48 C ASN A 4 4.080 -4.362 7.367 1.00 0.00 C ATOM 49 O ASN A 4 4.215 -5.408 6.733 1.00 0.00 O ATOM 50 CB ASN A 4 6.346 -3.778 6.559 1.00 0.00 C ATOM 51 CG ASN A 4 6.890 -4.944 7.388 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.594 -5.096 8.561 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.698 -5.756 6.712 1.00 0.00 N ATOM 0 H ASN A 4 5.142 -3.199 9.278 1.00 0.00 H new ATOM 0 HA ASN A 4 4.661 -2.440 6.530 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.139 -4.115 5.543 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.100 -2.994 6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.112 -6.565 7.175 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.904 -5.570 5.730 1.00 0.00 H new ATOM 60 N THR A 5 3.108 -4.132 8.237 1.00 0.00 N ATOM 61 CA THR A 5 2.018 -5.078 8.410 1.00 0.00 C ATOM 62 C THR A 5 0.674 -4.394 8.156 1.00 0.00 C ATOM 63 O THR A 5 0.599 -3.168 8.092 1.00 0.00 O ATOM 64 CB THR A 5 2.137 -5.686 9.809 1.00 0.00 C ATOM 65 OG1 THR A 5 2.068 -4.562 10.682 1.00 0.00 O ATOM 66 CG2 THR A 5 3.521 -6.280 10.074 1.00 0.00 C ATOM 0 H THR A 5 3.052 -3.304 8.830 1.00 0.00 H new ATOM 0 HA THR A 5 2.077 -5.888 7.683 1.00 0.00 H new ATOM 0 HB THR A 5 1.381 -6.461 9.934 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.136 -4.865 11.611 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.551 -6.698 11.080 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.724 -7.067 9.348 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.276 -5.499 9.983 1.00 0.00 H new ATOM 74 N PHE A 6 -0.356 -5.217 8.017 1.00 0.00 N ATOM 75 CA PHE A 6 -1.688 -4.709 7.738 1.00 0.00 C ATOM 76 C PHE A 6 -2.167 -3.782 8.857 1.00 0.00 C ATOM 77 O PHE A 6 -2.633 -2.674 8.594 1.00 0.00 O ATOM 78 CB PHE A 6 -2.621 -5.919 7.659 1.00 0.00 C ATOM 79 CG PHE A 6 -2.374 -6.817 6.446 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.623 -6.350 5.193 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.907 -8.082 6.620 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.394 -7.183 4.066 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.678 -8.915 5.493 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.926 -8.449 4.240 1.00 0.00 C ATOM 0 H PHE A 6 -0.294 -6.232 8.093 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.682 -4.139 6.809 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.507 -6.512 8.566 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.653 -5.568 7.634 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.995 -5.345 5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.710 -8.453 7.615 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.591 -6.812 3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.306 -9.920 5.631 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.752 -9.083 3.383 1.00 0.00 H new ATOM 94 N ASP A 7 -2.036 -4.269 10.082 1.00 0.00 N ATOM 95 CA ASP A 7 -2.509 -3.526 11.238 1.00 0.00 C ATOM 96 C ASP A 7 -1.590 -2.327 11.478 1.00 0.00 C ATOM 97 O ASP A 7 -2.057 -1.241 11.818 1.00 0.00 O ATOM 98 CB ASP A 7 -2.490 -4.396 12.497 1.00 0.00 C ATOM 99 CG ASP A 7 -3.301 -5.690 12.401 1.00 0.00 C ATOM 100 OD1 ASP A 7 -2.871 -6.573 11.628 1.00 0.00 O ATOM 101 OD2 ASP A 7 -4.332 -5.766 13.103 1.00 0.00 O ATOM 0 H ASP A 7 -1.609 -5.169 10.299 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.531 -3.204 11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.456 -4.650 12.730 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.870 -3.808 13.333 1.00 0.00 H new ATOM 106 N GLY A 8 -0.300 -2.564 11.292 1.00 0.00 N ATOM 107 CA GLY A 8 0.700 -1.562 11.623 1.00 0.00 C ATOM 108 C GLY A 8 0.566 -0.335 10.719 1.00 0.00 C ATOM 109 O GLY A 8 0.506 0.794 11.204 1.00 0.00 O ATOM 0 H GLY A 8 0.076 -3.435 10.917 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.590 -1.264 12.666 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.697 -1.989 11.517 1.00 0.00 H new ATOM 113 N VAL A 9 0.523 -0.597 9.421 1.00 0.00 N ATOM 114 CA VAL A 9 0.417 0.473 8.444 1.00 0.00 C ATOM 115 C VAL A 9 -0.939 1.165 8.598 1.00 0.00 C ATOM 116 O VAL A 9 -1.030 2.389 8.508 1.00 0.00 O ATOM 117 CB VAL A 9 0.650 -0.078 7.036 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.340 0.980 5.975 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.078 -0.606 6.884 1.00 0.00 C ATOM 0 H VAL A 9 0.560 -1.535 9.023 1.00 0.00 H new ATOM 0 HA VAL A 9 1.188 1.224 8.616 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.034 -0.913 6.885 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.514 0.563 4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.702 1.288 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.987 1.844 6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.218 -0.992 5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.786 0.203 7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.249 -1.405 7.605 1.00 0.00 H new ATOM 129 N ALA A 10 -1.960 0.352 8.828 1.00 0.00 N ATOM 130 CA ALA A 10 -3.307 0.871 8.993 1.00 0.00 C ATOM 131 C ALA A 10 -3.311 1.927 10.100 1.00 0.00 C ATOM 132 O ALA A 10 -3.927 2.982 9.955 1.00 0.00 O ATOM 133 CB ALA A 10 -4.266 -0.284 9.287 1.00 0.00 C ATOM 0 H ALA A 10 -1.881 -0.662 8.904 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.647 1.353 8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.277 0.105 9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.248 -0.991 8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.957 -0.790 10.202 1.00 0.00 H new ATOM 139 N ASP A 11 -2.614 1.608 11.181 1.00 0.00 N ATOM 140 CA ASP A 11 -2.583 2.487 12.338 1.00 0.00 C ATOM 141 C ASP A 11 -1.855 3.781 11.969 1.00 0.00 C ATOM 142 O ASP A 11 -2.262 4.866 12.383 1.00 0.00 O ATOM 143 CB ASP A 11 -1.833 1.838 13.503 1.00 0.00 C ATOM 144 CG ASP A 11 -2.714 1.391 14.670 1.00 0.00 C ATOM 145 OD1 ASP A 11 -3.499 0.441 14.458 1.00 0.00 O ATOM 146 OD2 ASP A 11 -2.584 2.008 15.749 1.00 0.00 O ATOM 0 H ASP A 11 -2.066 0.753 11.280 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.612 2.686 12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.287 0.973 13.127 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.092 2.544 13.877 1.00 0.00 H new ATOM 151 N TYR A 12 -0.791 3.624 11.196 1.00 0.00 N ATOM 152 CA TYR A 12 0.076 4.747 10.880 1.00 0.00 C ATOM 153 C TYR A 12 -0.625 5.736 9.947 1.00 0.00 C ATOM 154 O TYR A 12 -0.409 6.943 10.040 1.00 0.00 O ATOM 155 CB TYR A 12 1.287 4.153 10.157 1.00 0.00 C ATOM 156 CG TYR A 12 2.489 5.096 10.079 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.565 6.037 9.072 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.498 5.006 11.017 1.00 0.00 C ATOM 159 CE1 TYR A 12 3.696 6.925 9.000 1.00 0.00 C ATOM 160 CE2 TYR A 12 4.630 5.894 10.944 1.00 0.00 C ATOM 161 CZ TYR A 12 4.673 6.810 9.939 1.00 0.00 C ATOM 162 OH TYR A 12 5.742 7.648 9.870 1.00 0.00 O ATOM 0 H TYR A 12 -0.509 2.737 10.779 1.00 0.00 H new ATOM 0 HA TYR A 12 0.352 5.286 11.786 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.589 3.238 10.667 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.992 3.872 9.146 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.776 6.107 8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.439 4.270 11.805 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.767 7.666 8.218 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.427 5.834 11.671 1.00 0.00 H new ATOM 0 HH TYR A 12 6.359 7.452 10.605 1.00 0.00 H new ATOM 172 N LEU A 13 -1.451 5.187 9.068 1.00 0.00 N ATOM 173 CA LEU A 13 -2.312 6.010 8.235 1.00 0.00 C ATOM 174 C LEU A 13 -3.181 6.898 9.127 1.00 0.00 C ATOM 175 O LEU A 13 -3.144 8.122 9.016 1.00 0.00 O ATOM 176 CB LEU A 13 -3.114 5.138 7.267 1.00 0.00 C ATOM 177 CG LEU A 13 -2.370 4.668 6.015 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.729 3.219 5.676 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.626 5.612 4.838 1.00 0.00 C ATOM 0 H LEU A 13 -1.542 4.183 8.915 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.715 6.674 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.467 4.260 7.807 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.997 5.695 6.953 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.300 4.695 6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.187 2.909 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.455 2.572 6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.801 3.143 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.086 5.255 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.694 5.640 4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.281 6.614 5.094 1.00 0.00 H new ATOM 191 N ILE A 14 -3.944 6.246 9.993 1.00 0.00 N ATOM 192 CA ILE A 14 -4.894 6.953 10.834 1.00 0.00 C ATOM 193 C ILE A 14 -4.165 8.058 11.601 1.00 0.00 C ATOM 194 O ILE A 14 -4.667 9.176 11.713 1.00 0.00 O ATOM 195 CB ILE A 14 -5.645 5.972 11.736 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.616 5.113 10.923 1.00 0.00 C ATOM 197 CG2 ILE A 14 -6.348 6.706 12.880 1.00 0.00 C ATOM 198 CD1 ILE A 14 -7.925 5.861 10.664 1.00 0.00 C ATOM 0 H ILE A 14 -3.923 5.235 10.130 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.657 7.437 10.224 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.917 5.297 12.186 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.156 4.838 9.974 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.822 4.186 11.458 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.874 5.985 13.506 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.609 7.237 13.480 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.062 7.420 12.470 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.597 5.228 10.084 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.394 6.113 11.615 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.718 6.775 10.108 1.00 0.00 H new ATOM 210 N ARG A 15 -2.993 7.708 12.109 1.00 0.00 N ATOM 211 CA ARG A 15 -2.275 8.590 13.014 1.00 0.00 C ATOM 212 C ARG A 15 -1.728 9.799 12.252 1.00 0.00 C ATOM 213 O ARG A 15 -2.154 10.929 12.486 1.00 0.00 O ATOM 214 CB ARG A 15 -1.117 7.858 13.694 1.00 0.00 C ATOM 215 CG ARG A 15 -0.919 8.356 15.127 1.00 0.00 C ATOM 216 CD ARG A 15 0.284 7.675 15.783 1.00 0.00 C ATOM 217 NE ARG A 15 0.221 7.844 17.252 1.00 0.00 N ATOM 218 CZ ARG A 15 -0.489 7.055 18.070 1.00 0.00 C ATOM 219 NH1 ARG A 15 -1.303 6.121 17.559 1.00 0.00 N ATOM 220 NH2 ARG A 15 -0.387 7.201 19.398 1.00 0.00 N ATOM 0 H ARG A 15 -2.522 6.825 11.911 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.977 8.924 13.778 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.314 6.786 13.702 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.201 8.009 13.123 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.773 9.436 15.123 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.817 8.158 15.712 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.295 6.615 15.531 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.210 8.104 15.399 1.00 0.00 H new ATOM 0 HE ARG A 15 0.752 8.609 17.668 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.382 6.011 16.548 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.844 5.520 18.181 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.231 7.913 19.787 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.928 6.600 20.020 1.00 0.00 H new ATOM 234 N TYR A 16 -0.792 9.521 11.357 1.00 0.00 N ATOM 235 CA TYR A 16 0.008 10.575 10.758 1.00 0.00 C ATOM 236 C TYR A 16 -0.625 11.071 9.457 1.00 0.00 C ATOM 237 O TYR A 16 -0.154 12.041 8.863 1.00 0.00 O ATOM 238 CB TYR A 16 1.367 9.947 10.443 1.00 0.00 C ATOM 239 CG TYR A 16 2.157 9.519 11.682 1.00 0.00 C ATOM 240 CD1 TYR A 16 2.788 10.469 12.460 1.00 0.00 C ATOM 241 CD2 TYR A 16 2.238 8.184 12.022 1.00 0.00 C ATOM 242 CE1 TYR A 16 3.531 10.067 13.626 1.00 0.00 C ATOM 243 CE2 TYR A 16 2.982 7.782 13.188 1.00 0.00 C ATOM 244 CZ TYR A 16 3.591 8.743 13.932 1.00 0.00 C ATOM 245 OH TYR A 16 4.293 8.363 15.033 1.00 0.00 O ATOM 0 H TYR A 16 -0.570 8.580 11.032 1.00 0.00 H new ATOM 0 HA TYR A 16 0.088 11.427 11.434 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.215 9.077 9.804 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.962 10.661 9.874 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.724 11.514 12.194 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.744 7.441 11.414 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.029 10.800 14.243 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.054 6.741 13.465 1.00 0.00 H new ATOM 0 HH TYR A 16 4.249 7.389 15.129 1.00 0.00 H new ATOM 255 N LYS A 17 -1.682 10.384 9.050 1.00 0.00 N ATOM 256 CA LYS A 17 -2.404 10.763 7.848 1.00 0.00 C ATOM 257 C LYS A 17 -1.473 10.645 6.640 1.00 0.00 C ATOM 258 O LYS A 17 -1.493 11.495 5.751 1.00 0.00 O ATOM 259 CB LYS A 17 -3.026 12.151 8.012 1.00 0.00 C ATOM 260 CG LYS A 17 -3.977 12.188 9.210 1.00 0.00 C ATOM 261 CD LYS A 17 -4.576 13.584 9.393 1.00 0.00 C ATOM 262 CE LYS A 17 -5.654 13.581 10.478 1.00 0.00 C ATOM 263 NZ LYS A 17 -5.071 13.206 11.786 1.00 0.00 N ATOM 0 H LYS A 17 -2.056 9.566 9.532 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.239 10.084 7.675 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.239 12.893 8.145 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.567 12.420 7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.777 11.461 9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.441 11.897 10.113 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.789 14.289 9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.004 13.926 8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.112 14.568 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.445 12.880 10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.770 13.371 12.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.808 12.200 11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.225 13.783 11.967 1.00 0.00 H new ATOM 277 N ARG A 18 -0.679 9.585 6.646 1.00 0.00 N ATOM 278 CA ARG A 18 0.082 9.212 5.466 1.00 0.00 C ATOM 279 C ARG A 18 0.616 7.785 5.607 1.00 0.00 C ATOM 280 O ARG A 18 0.442 7.154 6.648 1.00 0.00 O ATOM 281 CB ARG A 18 1.255 10.168 5.242 1.00 0.00 C ATOM 282 CG ARG A 18 2.039 10.387 6.537 1.00 0.00 C ATOM 283 CD ARG A 18 3.447 10.911 6.244 1.00 0.00 C ATOM 284 NE ARG A 18 4.235 10.970 7.495 1.00 0.00 N ATOM 285 CZ ARG A 18 5.541 11.265 7.547 1.00 0.00 C ATOM 286 NH1 ARG A 18 6.200 11.588 6.426 1.00 0.00 N ATOM 287 NH2 ARG A 18 6.189 11.238 8.720 1.00 0.00 N ATOM 0 H ARG A 18 -0.546 8.972 7.450 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.588 9.270 4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.917 9.764 4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.884 11.124 4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.508 11.096 7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.104 9.450 7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.943 10.262 5.522 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.389 11.902 5.794 1.00 0.00 H new ATOM 0 HE ARG A 18 3.754 10.774 8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.707 11.609 5.533 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.194 11.813 6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.688 10.993 9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.183 11.463 8.759 1.00 0.00 H new ATOM 301 N LEU A 19 1.254 7.318 4.544 1.00 0.00 N ATOM 302 CA LEU A 19 2.029 6.091 4.615 1.00 0.00 C ATOM 303 C LEU A 19 3.291 6.338 5.443 1.00 0.00 C ATOM 304 O LEU A 19 3.682 7.484 5.659 1.00 0.00 O ATOM 305 CB LEU A 19 2.310 5.553 3.210 1.00 0.00 C ATOM 306 CG LEU A 19 1.133 4.879 2.502 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.509 4.480 1.074 1.00 0.00 C ATOM 308 CD2 LEU A 19 0.615 3.689 3.312 1.00 0.00 C ATOM 0 H LEU A 19 1.250 7.767 3.628 1.00 0.00 H new ATOM 0 HA LEU A 19 1.462 5.310 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.657 6.379 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.129 4.836 3.274 1.00 0.00 H new ATOM 0 HG LEU A 19 0.318 5.599 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.655 4.003 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.793 5.369 0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.347 3.783 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.221 3.228 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.414 2.958 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.283 4.033 4.292 1.00 0.00 H new ATOM 320 N PRO A 20 3.910 5.215 5.896 1.00 0.00 N ATOM 321 CA PRO A 20 5.267 5.265 6.413 1.00 0.00 C ATOM 322 C PRO A 20 6.281 5.407 5.276 1.00 0.00 C ATOM 323 O PRO A 20 5.941 5.222 4.109 1.00 0.00 O ATOM 324 CB PRO A 20 5.436 3.976 7.201 1.00 0.00 C ATOM 325 CG PRO A 20 4.338 3.044 6.715 1.00 0.00 C ATOM 326 CD PRO A 20 3.336 3.873 5.929 1.00 0.00 C ATOM 0 HA PRO A 20 5.443 6.132 7.050 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.421 3.541 7.032 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.348 4.158 8.272 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.756 2.256 6.089 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.851 2.556 7.559 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.197 3.477 4.923 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.358 3.872 6.410 1.00 0.00 H new ATOM 334 N ASP A 21 7.508 5.733 5.657 1.00 0.00 N ATOM 335 CA ASP A 21 8.502 6.166 4.690 1.00 0.00 C ATOM 336 C ASP A 21 9.216 4.940 4.117 1.00 0.00 C ATOM 337 O ASP A 21 10.121 5.073 3.294 1.00 0.00 O ATOM 338 CB ASP A 21 9.554 7.063 5.345 1.00 0.00 C ATOM 339 CG ASP A 21 10.605 7.631 4.389 1.00 0.00 C ATOM 340 OD1 ASP A 21 10.288 8.651 3.739 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.701 7.033 4.329 1.00 0.00 O ATOM 0 H ASP A 21 7.836 5.706 6.622 1.00 0.00 H new ATOM 0 HA ASP A 21 7.990 6.725 3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.047 7.892 5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.062 6.493 6.123 1.00 0.00 H new ATOM 346 N ASN A 22 8.783 3.775 4.574 1.00 0.00 N ATOM 347 CA ASN A 22 9.375 2.527 4.123 1.00 0.00 C ATOM 348 C ASN A 22 8.773 2.142 2.770 1.00 0.00 C ATOM 349 O ASN A 22 9.184 1.155 2.162 1.00 0.00 O ATOM 350 CB ASN A 22 9.087 1.392 5.108 1.00 0.00 C ATOM 351 CG ASN A 22 7.605 1.012 5.088 1.00 0.00 C ATOM 352 OD1 ASN A 22 6.730 1.831 4.862 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.374 -0.274 5.336 1.00 0.00 N ATOM 0 H ASN A 22 8.029 3.669 5.252 1.00 0.00 H new ATOM 0 HA ASN A 22 10.452 2.674 4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.693 0.522 4.853 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.374 1.697 6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.417 -0.628 5.345 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.153 -0.906 5.517 1.00 0.00 H new ATOM 360 N TYR A 23 7.809 2.941 2.338 1.00 0.00 N ATOM 361 CA TYR A 23 7.260 2.797 1.000 1.00 0.00 C ATOM 362 C TYR A 23 7.631 3.994 0.123 1.00 0.00 C ATOM 363 O TYR A 23 7.231 5.123 0.405 1.00 0.00 O ATOM 364 CB TYR A 23 5.740 2.756 1.171 1.00 0.00 C ATOM 365 CG TYR A 23 5.241 1.591 2.027 1.00 0.00 C ATOM 366 CD1 TYR A 23 5.918 0.388 2.017 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.114 1.742 2.808 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.448 -0.709 2.823 1.00 0.00 C ATOM 369 CE2 TYR A 23 3.644 0.645 3.614 1.00 0.00 C ATOM 370 CZ TYR A 23 4.334 -0.527 3.581 1.00 0.00 C ATOM 371 OH TYR A 23 3.890 -1.563 4.342 1.00 0.00 O ATOM 0 H TYR A 23 7.394 3.691 2.891 1.00 0.00 H new ATOM 0 HA TYR A 23 7.651 1.901 0.519 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.410 3.692 1.622 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.276 2.695 0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.800 0.270 1.405 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.584 2.683 2.815 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.969 -1.655 2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.764 0.750 4.231 1.00 0.00 H new ATOM 0 HH TYR A 23 3.584 -2.289 3.759 1.00 0.00 H new ATOM 381 N ILE A 24 8.392 3.707 -0.923 1.00 0.00 N ATOM 382 CA ILE A 24 8.606 4.679 -1.982 1.00 0.00 C ATOM 383 C ILE A 24 7.745 4.309 -3.191 1.00 0.00 C ATOM 384 O ILE A 24 7.131 3.243 -3.216 1.00 0.00 O ATOM 385 CB ILE A 24 10.097 4.801 -2.303 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.675 3.456 -2.747 1.00 0.00 C ATOM 387 CG2 ILE A 24 10.867 5.393 -1.121 1.00 0.00 C ATOM 388 CD1 ILE A 24 12.055 3.634 -3.382 1.00 0.00 C ATOM 0 H ILE A 24 8.868 2.815 -1.060 1.00 0.00 H new ATOM 0 HA ILE A 24 8.290 5.671 -1.658 1.00 0.00 H new ATOM 0 HB ILE A 24 10.210 5.492 -3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.749 2.787 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.000 2.984 -3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.924 5.469 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.477 6.385 -0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.749 4.748 -0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.443 2.662 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.973 4.283 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.734 4.083 -2.657 1.00 0.00 H new ATOM 400 N THR A 25 7.727 5.209 -4.163 1.00 0.00 N ATOM 401 CA THR A 25 6.917 5.010 -5.352 1.00 0.00 C ATOM 402 C THR A 25 7.703 4.232 -6.409 1.00 0.00 C ATOM 403 O THR A 25 8.916 4.066 -6.288 1.00 0.00 O ATOM 404 CB THR A 25 6.442 6.382 -5.835 1.00 0.00 C ATOM 405 OG1 THR A 25 7.534 7.249 -5.545 1.00 0.00 O ATOM 406 CG2 THR A 25 5.292 6.935 -4.991 1.00 0.00 C ATOM 0 H THR A 25 8.261 6.078 -4.151 1.00 0.00 H new ATOM 0 HA THR A 25 6.038 4.403 -5.135 1.00 0.00 H new ATOM 0 HB THR A 25 6.126 6.311 -6.876 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.312 8.161 -5.828 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.994 7.910 -5.377 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.444 6.251 -5.038 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.617 7.038 -3.956 1.00 0.00 H new ATOM 414 N LYS A 26 6.980 3.776 -7.421 1.00 0.00 N ATOM 415 CA LYS A 26 7.595 3.021 -8.500 1.00 0.00 C ATOM 416 C LYS A 26 8.720 3.851 -9.121 1.00 0.00 C ATOM 417 O LYS A 26 9.843 3.372 -9.264 1.00 0.00 O ATOM 418 CB LYS A 26 6.537 2.567 -9.507 1.00 0.00 C ATOM 419 CG LYS A 26 5.487 1.677 -8.838 1.00 0.00 C ATOM 420 CD LYS A 26 4.177 1.684 -9.628 1.00 0.00 C ATOM 421 CE LYS A 26 3.483 3.044 -9.526 1.00 0.00 C ATOM 422 NZ LYS A 26 3.379 3.674 -10.861 1.00 0.00 N ATOM 0 H LYS A 26 5.974 3.915 -7.517 1.00 0.00 H new ATOM 0 HA LYS A 26 8.048 2.107 -8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.052 3.438 -9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.015 2.022 -10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.865 0.657 -8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.304 2.025 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.378 1.451 -10.674 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.516 0.905 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.489 2.920 -9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.042 3.694 -8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.906 4.596 -10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.331 3.810 -11.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.827 3.060 -11.493 1.00 0.00 H new ATOM 436 N SER A 27 8.378 5.082 -9.474 1.00 0.00 N ATOM 437 CA SER A 27 9.286 5.921 -10.236 1.00 0.00 C ATOM 438 C SER A 27 10.621 6.052 -9.500 1.00 0.00 C ATOM 439 O SER A 27 11.669 6.194 -10.128 1.00 0.00 O ATOM 440 CB SER A 27 8.680 7.304 -10.485 1.00 0.00 C ATOM 441 OG SER A 27 7.409 7.223 -11.124 1.00 0.00 O ATOM 0 H SER A 27 7.484 5.518 -9.246 1.00 0.00 H new ATOM 0 HA SER A 27 9.457 5.449 -11.203 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.576 7.830 -9.536 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.359 7.892 -11.102 1.00 0.00 H new ATOM 0 HG SER A 27 7.055 8.126 -11.264 1.00 0.00 H new ATOM 447 N GLN A 28 10.539 5.998 -8.179 1.00 0.00 N ATOM 448 CA GLN A 28 11.729 6.097 -7.351 1.00 0.00 C ATOM 449 C GLN A 28 12.596 4.848 -7.516 1.00 0.00 C ATOM 450 O GLN A 28 13.753 4.939 -7.922 1.00 0.00 O ATOM 451 CB GLN A 28 11.359 6.318 -5.883 1.00 0.00 C ATOM 452 CG GLN A 28 12.196 7.443 -5.269 1.00 0.00 C ATOM 453 CD GLN A 28 11.712 7.779 -3.857 1.00 0.00 C ATOM 454 OE1 GLN A 28 10.547 8.057 -3.622 1.00 0.00 O ATOM 455 NE2 GLN A 28 12.668 7.737 -2.934 1.00 0.00 N ATOM 0 H GLN A 28 9.667 5.887 -7.661 1.00 0.00 H new ATOM 0 HA GLN A 28 12.306 6.961 -7.680 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.300 6.564 -5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.515 5.396 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.244 7.145 -5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.136 8.331 -5.899 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.623 7.497 -3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.446 7.945 -1.960 1.00 0.00 H new ATOM 464 N ALA A 29 12.003 3.708 -7.191 1.00 0.00 N ATOM 465 CA ALA A 29 12.709 2.442 -7.289 1.00 0.00 C ATOM 466 C ALA A 29 13.319 2.310 -8.686 1.00 0.00 C ATOM 467 O ALA A 29 14.448 1.844 -8.833 1.00 0.00 O ATOM 468 CB ALA A 29 11.751 1.296 -6.961 1.00 0.00 C ATOM 0 H ALA A 29 11.041 3.635 -6.859 1.00 0.00 H new ATOM 0 HA ALA A 29 13.525 2.401 -6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.281 0.346 -7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.368 1.420 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.920 1.303 -7.666 1.00 0.00 H new ATOM 474 N SER A 30 12.546 2.730 -9.677 1.00 0.00 N ATOM 475 CA SER A 30 12.934 2.535 -11.063 1.00 0.00 C ATOM 476 C SER A 30 14.177 3.369 -11.381 1.00 0.00 C ATOM 477 O SER A 30 15.075 2.909 -12.084 1.00 0.00 O ATOM 478 CB SER A 30 11.792 2.903 -12.012 1.00 0.00 C ATOM 479 OG SER A 30 11.053 1.757 -12.427 1.00 0.00 O ATOM 0 H SER A 30 11.653 3.205 -9.547 1.00 0.00 H new ATOM 0 HA SER A 30 13.165 1.480 -11.208 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.122 3.607 -11.518 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.197 3.410 -12.888 1.00 0.00 H new ATOM 0 HG SER A 30 10.332 2.034 -13.030 1.00 0.00 H new ATOM 485 N ALA A 31 14.189 4.582 -10.846 1.00 0.00 N ATOM 486 CA ALA A 31 15.312 5.480 -11.055 1.00 0.00 C ATOM 487 C ALA A 31 16.589 4.825 -10.527 1.00 0.00 C ATOM 488 O ALA A 31 17.658 4.978 -11.116 1.00 0.00 O ATOM 489 CB ALA A 31 15.023 6.823 -10.380 1.00 0.00 C ATOM 0 H ALA A 31 13.439 4.963 -10.269 1.00 0.00 H new ATOM 0 HA ALA A 31 15.457 5.673 -12.118 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.865 7.497 -10.536 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.123 7.261 -10.811 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.875 6.669 -9.311 1.00 0.00 H new ATOM 495 N LEU A 32 16.436 4.109 -9.423 1.00 0.00 N ATOM 496 CA LEU A 32 17.576 3.484 -8.772 1.00 0.00 C ATOM 497 C LEU A 32 18.006 2.255 -9.576 1.00 0.00 C ATOM 498 O LEU A 32 19.131 1.779 -9.434 1.00 0.00 O ATOM 499 CB LEU A 32 17.256 3.181 -7.307 1.00 0.00 C ATOM 500 CG LEU A 32 16.947 4.391 -6.423 1.00 0.00 C ATOM 501 CD1 LEU A 32 16.300 3.957 -5.107 1.00 0.00 C ATOM 502 CD2 LEU A 32 18.202 5.236 -6.194 1.00 0.00 C ATOM 0 H LEU A 32 15.540 3.947 -8.962 1.00 0.00 H new ATOM 0 HA LEU A 32 18.426 4.166 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.401 2.505 -7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.102 2.647 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 32 16.225 5.020 -6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.091 4.836 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.369 3.430 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.979 3.295 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.956 6.090 -5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.964 4.630 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.582 5.591 -7.152 1.00 0.00 H new ATOM 514 N GLY A 33 17.087 1.777 -10.402 1.00 0.00 N ATOM 515 CA GLY A 33 17.425 0.772 -11.396 1.00 0.00 C ATOM 516 C GLY A 33 16.712 -0.550 -11.104 1.00 0.00 C ATOM 517 O GLY A 33 17.150 -1.608 -11.553 1.00 0.00 O ATOM 0 H GLY A 33 16.109 2.067 -10.403 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.146 1.128 -12.388 1.00 0.00 H new ATOM 0 HA3 GLY A 33 18.503 0.613 -11.406 1.00 0.00 H new ATOM 521 N TRP A 34 15.624 -0.445 -10.355 1.00 0.00 N ATOM 522 CA TRP A 34 14.711 -1.566 -10.201 1.00 0.00 C ATOM 523 C TRP A 34 13.946 -1.736 -11.515 1.00 0.00 C ATOM 524 O TRP A 34 13.439 -0.764 -12.073 1.00 0.00 O ATOM 525 CB TRP A 34 13.791 -1.362 -8.996 1.00 0.00 C ATOM 526 CG TRP A 34 12.553 -2.260 -8.999 1.00 0.00 C ATOM 527 CD1 TRP A 34 12.493 -3.584 -8.805 1.00 0.00 C ATOM 528 CD2 TRP A 34 11.188 -1.842 -9.216 1.00 0.00 C ATOM 529 NE1 TRP A 34 11.196 -4.049 -8.881 1.00 0.00 N ATOM 530 CE2 TRP A 34 10.377 -2.956 -9.139 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.657 -0.565 -9.470 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.988 -2.905 -9.303 1.00 0.00 C ATOM 533 CZ3 TRP A 34 9.267 -0.531 -9.631 1.00 0.00 C ATOM 534 CH2 TRP A 34 8.437 -1.643 -9.556 1.00 0.00 C ATOM 0 H TRP A 34 15.354 0.398 -9.848 1.00 0.00 H new ATOM 0 HA TRP A 34 15.260 -2.485 -9.996 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.358 -1.546 -8.084 1.00 0.00 H new ATOM 0 HB3 TRP A 34 13.471 -0.320 -8.968 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.352 -4.209 -8.613 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.894 -5.017 -8.769 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.273 0.320 -9.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.374 -3.791 -9.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.807 0.426 -9.827 1.00 0.00 H new ATOM 0 HH2 TRP A 34 7.371 -1.534 -9.692 1.00 0.00 H new ATOM 545 N VAL A 35 13.887 -2.978 -11.972 1.00 0.00 N ATOM 546 CA VAL A 35 13.544 -3.251 -13.357 1.00 0.00 C ATOM 547 C VAL A 35 12.103 -3.760 -13.431 1.00 0.00 C ATOM 548 O VAL A 35 11.468 -3.687 -14.482 1.00 0.00 O ATOM 549 CB VAL A 35 14.555 -4.226 -13.964 1.00 0.00 C ATOM 550 CG1 VAL A 35 14.372 -4.334 -15.479 1.00 0.00 C ATOM 551 CG2 VAL A 35 15.987 -3.821 -13.612 1.00 0.00 C ATOM 0 H VAL A 35 14.071 -3.807 -11.407 1.00 0.00 H new ATOM 0 HA VAL A 35 13.596 -2.338 -13.950 1.00 0.00 H new ATOM 0 HB VAL A 35 14.370 -5.210 -13.534 1.00 0.00 H new ATOM 0 HG11 VAL A 35 15.103 -5.033 -15.885 1.00 0.00 H new ATOM 0 HG12 VAL A 35 13.366 -4.692 -15.699 1.00 0.00 H new ATOM 0 HG13 VAL A 35 14.516 -3.354 -15.934 1.00 0.00 H new ATOM 0 HG21 VAL A 35 16.685 -4.531 -14.056 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.189 -2.823 -14.000 1.00 0.00 H new ATOM 0 HG23 VAL A 35 16.109 -3.821 -12.529 1.00 0.00 H new ATOM 561 N ALA A 36 11.629 -4.265 -12.302 1.00 0.00 N ATOM 562 CA ALA A 36 10.290 -4.826 -12.237 1.00 0.00 C ATOM 563 C ALA A 36 10.185 -5.997 -13.216 1.00 0.00 C ATOM 564 O ALA A 36 9.159 -6.172 -13.871 1.00 0.00 O ATOM 565 CB ALA A 36 9.262 -3.730 -12.525 1.00 0.00 C ATOM 0 H ALA A 36 12.148 -4.298 -11.425 1.00 0.00 H new ATOM 0 HA ALA A 36 10.083 -5.211 -11.239 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.258 -4.151 -12.476 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.359 -2.936 -11.784 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.436 -3.321 -13.520 1.00 0.00 H new ATOM 571 N SER A 37 11.261 -6.767 -13.285 1.00 0.00 N ATOM 572 CA SER A 37 11.299 -7.921 -14.168 1.00 0.00 C ATOM 573 C SER A 37 12.387 -8.894 -13.709 1.00 0.00 C ATOM 574 O SER A 37 12.130 -10.086 -13.544 1.00 0.00 O ATOM 575 CB SER A 37 11.541 -7.498 -15.618 1.00 0.00 C ATOM 576 OG SER A 37 10.566 -6.564 -16.071 1.00 0.00 O ATOM 0 H SER A 37 12.113 -6.615 -12.744 1.00 0.00 H new ATOM 0 HA SER A 37 10.331 -8.420 -14.122 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.534 -7.057 -15.706 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.525 -8.379 -16.260 1.00 0.00 H new ATOM 0 HG SER A 37 9.772 -6.617 -15.500 1.00 0.00 H new ATOM 582 N LYS A 38 13.580 -8.350 -13.518 1.00 0.00 N ATOM 583 CA LYS A 38 14.658 -9.108 -12.905 1.00 0.00 C ATOM 584 C LYS A 38 15.379 -8.226 -11.883 1.00 0.00 C ATOM 585 O LYS A 38 15.327 -7.000 -11.970 1.00 0.00 O ATOM 586 CB LYS A 38 15.582 -9.688 -13.977 1.00 0.00 C ATOM 587 CG LYS A 38 16.152 -8.582 -14.867 1.00 0.00 C ATOM 588 CD LYS A 38 15.418 -8.525 -16.209 1.00 0.00 C ATOM 589 CE LYS A 38 15.970 -9.570 -17.180 1.00 0.00 C ATOM 590 NZ LYS A 38 15.226 -9.533 -18.459 1.00 0.00 N ATOM 0 H LYS A 38 13.824 -7.394 -13.777 1.00 0.00 H new ATOM 0 HA LYS A 38 14.260 -9.965 -12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 38 16.397 -10.234 -13.503 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.032 -10.404 -14.588 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.065 -7.621 -14.360 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.214 -8.758 -15.037 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.353 -8.695 -16.053 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.521 -7.530 -16.642 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.028 -9.382 -17.362 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.894 -10.563 -16.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.613 -10.249 -19.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.221 -9.734 -18.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.320 -8.590 -18.888 1.00 0.00 H new ATOM 604 N GLY A 39 16.035 -8.884 -10.939 1.00 0.00 N ATOM 605 CA GLY A 39 16.618 -8.185 -9.807 1.00 0.00 C ATOM 606 C GLY A 39 15.536 -7.731 -8.826 1.00 0.00 C ATOM 607 O GLY A 39 14.770 -6.815 -9.121 1.00 0.00 O ATOM 0 H GLY A 39 16.176 -9.894 -10.935 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.325 -8.839 -9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.180 -7.320 -10.159 1.00 0.00 H new ATOM 611 N ASN A 40 15.507 -8.393 -7.679 1.00 0.00 N ATOM 612 CA ASN A 40 14.490 -8.114 -6.679 1.00 0.00 C ATOM 613 C ASN A 40 14.680 -6.692 -6.147 1.00 0.00 C ATOM 614 O ASN A 40 15.725 -6.079 -6.363 1.00 0.00 O ATOM 615 CB ASN A 40 14.600 -9.079 -5.497 1.00 0.00 C ATOM 616 CG ASN A 40 15.993 -9.016 -4.865 1.00 0.00 C ATOM 617 OD1 ASN A 40 16.974 -9.489 -5.416 1.00 0.00 O ATOM 618 ND2 ASN A 40 16.024 -8.408 -3.683 1.00 0.00 N ATOM 0 H ASN A 40 16.171 -9.122 -7.420 1.00 0.00 H new ATOM 0 HA ASN A 40 13.514 -8.230 -7.150 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.846 -8.832 -4.750 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.395 -10.096 -5.833 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.907 -8.315 -3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.165 -8.035 -3.279 1.00 0.00 H new ATOM 625 N LEU A 41 13.655 -6.208 -5.463 1.00 0.00 N ATOM 626 CA LEU A 41 13.602 -4.806 -5.083 1.00 0.00 C ATOM 627 C LEU A 41 14.734 -4.506 -4.099 1.00 0.00 C ATOM 628 O LEU A 41 15.572 -3.643 -4.356 1.00 0.00 O ATOM 629 CB LEU A 41 12.213 -4.447 -4.552 1.00 0.00 C ATOM 630 CG LEU A 41 11.891 -2.953 -4.473 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.894 -2.318 -5.865 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.571 -2.715 -3.737 1.00 0.00 C ATOM 0 H LEU A 41 12.853 -6.762 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 41 13.759 -4.169 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.468 -4.926 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.105 -4.875 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 41 12.675 -2.464 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.662 -1.256 -5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.878 -2.440 -6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.144 -2.805 -6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.366 -1.645 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.763 -3.219 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.643 -3.111 -2.724 1.00 0.00 H new ATOM 644 N ALA A 42 14.722 -5.235 -2.993 1.00 0.00 N ATOM 645 CA ALA A 42 15.589 -4.910 -1.872 1.00 0.00 C ATOM 646 C ALA A 42 17.026 -4.757 -2.373 1.00 0.00 C ATOM 647 O ALA A 42 17.803 -3.983 -1.815 1.00 0.00 O ATOM 648 CB ALA A 42 15.458 -5.989 -0.795 1.00 0.00 C ATOM 0 H ALA A 42 14.126 -6.050 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 42 15.294 -3.963 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.108 -5.745 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.424 -6.037 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.748 -6.954 -1.210 1.00 0.00 H new ATOM 654 N GLU A 43 17.338 -5.508 -3.420 1.00 0.00 N ATOM 655 CA GLU A 43 18.679 -5.494 -3.977 1.00 0.00 C ATOM 656 C GLU A 43 19.087 -4.067 -4.346 1.00 0.00 C ATOM 657 O GLU A 43 20.170 -3.612 -3.980 1.00 0.00 O ATOM 658 CB GLU A 43 18.778 -6.424 -5.189 1.00 0.00 C ATOM 659 CG GLU A 43 20.217 -6.502 -5.703 1.00 0.00 C ATOM 660 CD GLU A 43 20.339 -7.522 -6.838 1.00 0.00 C ATOM 661 OE1 GLU A 43 19.614 -7.345 -7.840 1.00 0.00 O ATOM 662 OE2 GLU A 43 21.155 -8.455 -6.676 1.00 0.00 O ATOM 0 H GLU A 43 16.685 -6.130 -3.896 1.00 0.00 H new ATOM 0 HA GLU A 43 19.370 -5.863 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.431 -7.421 -4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 43 18.123 -6.064 -5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.535 -5.521 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.884 -6.779 -4.887 1.00 0.00 H new ATOM 669 N VAL A 44 18.198 -3.399 -5.067 1.00 0.00 N ATOM 670 CA VAL A 44 18.524 -2.108 -5.649 1.00 0.00 C ATOM 671 C VAL A 44 18.142 -0.999 -4.666 1.00 0.00 C ATOM 672 O VAL A 44 18.885 -0.033 -4.496 1.00 0.00 O ATOM 673 CB VAL A 44 17.841 -1.961 -7.010 1.00 0.00 C ATOM 674 CG1 VAL A 44 18.108 -0.579 -7.611 1.00 0.00 C ATOM 675 CG2 VAL A 44 18.283 -3.070 -7.968 1.00 0.00 C ATOM 0 H VAL A 44 17.252 -3.728 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 44 19.596 -2.029 -5.827 1.00 0.00 H new ATOM 0 HB VAL A 44 16.766 -2.058 -6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.611 -0.501 -8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.722 0.190 -6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 44 19.181 -0.440 -7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 44 17.783 -2.942 -8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 44 19.362 -3.018 -8.111 1.00 0.00 H new ATOM 0 HG23 VAL A 44 18.019 -4.040 -7.548 1.00 0.00 H new ATOM 685 N ALA A 45 16.986 -1.176 -4.044 1.00 0.00 N ATOM 686 CA ALA A 45 16.482 -0.186 -3.107 1.00 0.00 C ATOM 687 C ALA A 45 16.054 -0.886 -1.815 1.00 0.00 C ATOM 688 O ALA A 45 14.888 -1.244 -1.656 1.00 0.00 O ATOM 689 CB ALA A 45 15.336 0.594 -3.755 1.00 0.00 C ATOM 0 H ALA A 45 16.384 -1.990 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 45 17.261 0.532 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.958 1.336 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.699 1.095 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.534 -0.093 -4.023 1.00 0.00 H new ATOM 695 N PRO A 46 17.046 -1.063 -0.902 1.00 0.00 N ATOM 696 CA PRO A 46 16.805 -1.790 0.333 1.00 0.00 C ATOM 697 C PRO A 46 16.001 -0.941 1.320 1.00 0.00 C ATOM 698 O PRO A 46 16.028 0.287 1.254 1.00 0.00 O ATOM 699 CB PRO A 46 18.186 -2.154 0.851 1.00 0.00 C ATOM 700 CG PRO A 46 19.157 -1.225 0.141 1.00 0.00 C ATOM 701 CD PRO A 46 18.418 -0.579 -1.021 1.00 0.00 C ATOM 0 HA PRO A 46 16.202 -2.685 0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.244 -2.027 1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.419 -3.198 0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.529 -0.464 0.827 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.023 -1.780 -0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.461 0.509 -0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.857 -0.864 -1.977 1.00 0.00 H new ATOM 709 N GLY A 47 15.304 -1.630 2.213 1.00 0.00 N ATOM 710 CA GLY A 47 14.551 -0.955 3.256 1.00 0.00 C ATOM 711 C GLY A 47 13.251 -0.368 2.701 1.00 0.00 C ATOM 712 O GLY A 47 12.514 0.305 3.420 1.00 0.00 O ATOM 0 H GLY A 47 15.245 -2.648 2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.324 -1.657 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.157 -0.160 3.691 1.00 0.00 H new ATOM 716 N LYS A 48 13.011 -0.643 1.428 1.00 0.00 N ATOM 717 CA LYS A 48 12.053 0.136 0.661 1.00 0.00 C ATOM 718 C LYS A 48 11.176 -0.809 -0.162 1.00 0.00 C ATOM 719 O LYS A 48 11.678 -1.549 -1.007 1.00 0.00 O ATOM 720 CB LYS A 48 12.773 1.194 -0.177 1.00 0.00 C ATOM 721 CG LYS A 48 12.633 2.581 0.454 1.00 0.00 C ATOM 722 CD LYS A 48 13.750 2.838 1.467 1.00 0.00 C ATOM 723 CE LYS A 48 13.739 4.293 1.939 1.00 0.00 C ATOM 724 NZ LYS A 48 12.666 4.506 2.936 1.00 0.00 N ATOM 0 H LYS A 48 13.463 -1.395 0.908 1.00 0.00 H new ATOM 0 HA LYS A 48 11.389 0.687 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.828 0.936 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.361 1.206 -1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.661 3.343 -0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.664 2.664 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.630 2.174 2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.715 2.606 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.705 4.547 2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.589 4.957 1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.834 5.399 3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.746 4.550 2.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.662 3.719 3.616 1.00 0.00 H new ATOM 738 N SER A 49 9.881 -0.753 0.112 1.00 0.00 N ATOM 739 CA SER A 49 8.904 -1.387 -0.756 1.00 0.00 C ATOM 740 C SER A 49 8.239 -0.338 -1.649 1.00 0.00 C ATOM 741 O SER A 49 8.597 0.837 -1.604 1.00 0.00 O ATOM 742 CB SER A 49 7.849 -2.138 0.058 1.00 0.00 C ATOM 743 OG SER A 49 8.370 -2.619 1.294 1.00 0.00 O ATOM 0 H SER A 49 9.486 -0.278 0.923 1.00 0.00 H new ATOM 0 HA SER A 49 9.423 -2.112 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.004 -1.478 0.253 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.470 -2.976 -0.526 1.00 0.00 H new ATOM 0 HG SER A 49 7.665 -3.091 1.785 1.00 0.00 H new ATOM 749 N ILE A 50 7.281 -0.801 -2.438 1.00 0.00 N ATOM 750 CA ILE A 50 6.446 0.103 -3.212 1.00 0.00 C ATOM 751 C ILE A 50 5.197 0.455 -2.402 1.00 0.00 C ATOM 752 O ILE A 50 4.642 -0.396 -1.708 1.00 0.00 O ATOM 753 CB ILE A 50 6.140 -0.495 -4.587 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.422 -0.963 -5.279 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.349 0.490 -5.449 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.443 0.174 -5.367 1.00 0.00 C ATOM 0 H ILE A 50 7.064 -1.790 -2.558 1.00 0.00 H new ATOM 0 HA ILE A 50 6.974 1.037 -3.407 1.00 0.00 H new ATOM 0 HB ILE A 50 5.512 -1.375 -4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.851 -1.801 -4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.188 -1.325 -6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.145 0.040 -6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.407 0.731 -4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.930 1.402 -5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.345 -0.185 -5.863 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.019 1.000 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.693 0.517 -4.363 1.00 0.00 H new ATOM 768 N GLY A 51 4.790 1.710 -2.519 1.00 0.00 N ATOM 769 CA GLY A 51 3.508 2.135 -1.980 1.00 0.00 C ATOM 770 C GLY A 51 3.257 3.616 -2.267 1.00 0.00 C ATOM 771 O GLY A 51 4.158 4.329 -2.706 1.00 0.00 O ATOM 0 H GLY A 51 5.325 2.447 -2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.709 1.536 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.486 1.960 -0.904 1.00 0.00 H new ATOM 775 N GLY A 52 2.027 4.036 -2.008 1.00 0.00 N ATOM 776 CA GLY A 52 1.613 5.389 -2.336 1.00 0.00 C ATOM 777 C GLY A 52 1.168 5.488 -3.797 1.00 0.00 C ATOM 778 O GLY A 52 0.965 6.585 -4.315 1.00 0.00 O ATOM 0 H GLY A 52 1.304 3.462 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.795 5.691 -1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.437 6.079 -2.156 1.00 0.00 H new ATOM 782 N ASP A 53 1.030 4.327 -4.420 1.00 0.00 N ATOM 783 CA ASP A 53 0.512 4.262 -5.776 1.00 0.00 C ATOM 784 C ASP A 53 -1.016 4.318 -5.737 1.00 0.00 C ATOM 785 O ASP A 53 -1.635 3.823 -4.797 1.00 0.00 O ATOM 786 CB ASP A 53 0.920 2.955 -6.459 1.00 0.00 C ATOM 787 CG ASP A 53 2.421 2.662 -6.450 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.183 3.609 -6.159 1.00 0.00 O ATOM 789 OD2 ASP A 53 2.774 1.497 -6.735 1.00 0.00 O ATOM 0 H ASP A 53 1.268 3.424 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 53 0.921 5.104 -6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.401 2.130 -5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.576 2.980 -7.493 1.00 0.00 H new ATOM 794 N VAL A 54 -1.581 4.926 -6.770 1.00 0.00 N ATOM 795 CA VAL A 54 -3.026 5.035 -6.877 1.00 0.00 C ATOM 796 C VAL A 54 -3.593 3.723 -7.423 1.00 0.00 C ATOM 797 O VAL A 54 -3.031 3.137 -8.347 1.00 0.00 O ATOM 798 CB VAL A 54 -3.398 6.249 -7.730 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.914 6.443 -7.775 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.697 7.511 -7.223 1.00 0.00 C ATOM 0 H VAL A 54 -1.064 5.349 -7.541 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.471 5.197 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.055 6.062 -8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.152 7.313 -8.388 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.382 5.557 -8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.291 6.598 -6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.979 8.359 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.995 7.704 -6.192 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.617 7.370 -7.268 1.00 0.00 H new ATOM 810 N PHE A 55 -4.699 3.300 -6.829 1.00 0.00 N ATOM 811 CA PHE A 55 -5.354 2.074 -7.251 1.00 0.00 C ATOM 812 C PHE A 55 -6.782 2.351 -7.727 1.00 0.00 C ATOM 813 O PHE A 55 -7.244 1.751 -8.696 1.00 0.00 O ATOM 814 CB PHE A 55 -5.405 1.151 -6.032 1.00 0.00 C ATOM 815 CG PHE A 55 -6.728 0.397 -5.878 1.00 0.00 C ATOM 816 CD1 PHE A 55 -6.907 -0.796 -6.506 1.00 0.00 C ATOM 817 CD2 PHE A 55 -7.723 0.919 -5.113 1.00 0.00 C ATOM 818 CE1 PHE A 55 -8.134 -1.496 -6.363 1.00 0.00 C ATOM 819 CE2 PHE A 55 -8.950 0.219 -4.970 1.00 0.00 C ATOM 820 CZ PHE A 55 -9.130 -0.974 -5.598 1.00 0.00 C ATOM 0 H PHE A 55 -5.158 3.785 -6.058 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.805 1.625 -8.078 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.592 0.428 -6.102 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.229 1.742 -5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.116 -1.211 -7.113 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.580 1.866 -4.614 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.276 -2.443 -6.862 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.741 0.634 -4.362 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.063 -1.506 -5.489 1.00 0.00 H new ATOM 925 N LEU A 62 -14.943 -1.733 -3.166 1.00 0.00 N ATOM 926 CA LEU A 62 -14.883 -0.757 -2.091 1.00 0.00 C ATOM 927 C LEU A 62 -15.855 0.386 -2.392 1.00 0.00 C ATOM 928 O LEU A 62 -16.214 0.613 -3.546 1.00 0.00 O ATOM 929 CB LEU A 62 -13.442 -0.296 -1.866 1.00 0.00 C ATOM 930 CG LEU A 62 -12.410 -1.404 -1.646 1.00 0.00 C ATOM 931 CD1 LEU A 62 -11.008 -0.933 -2.039 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.459 -1.920 -0.206 1.00 0.00 C ATOM 0 HA LEU A 62 -15.200 -1.206 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -13.132 0.296 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.424 0.367 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.663 -2.241 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.293 -1.739 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.000 -0.652 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.730 -0.071 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.716 -2.707 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.245 -1.101 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.451 -2.320 0.004 1.00 0.00 H new ATOM 944 N PRO A 63 -16.263 1.095 -1.305 1.00 0.00 N ATOM 945 CA PRO A 63 -17.209 2.190 -1.437 1.00 0.00 C ATOM 946 C PRO A 63 -16.535 3.427 -2.034 1.00 0.00 C ATOM 947 O PRO A 63 -15.323 3.440 -2.239 1.00 0.00 O ATOM 948 CB PRO A 63 -17.741 2.422 -0.033 1.00 0.00 C ATOM 949 CG PRO A 63 -16.739 1.769 0.906 1.00 0.00 C ATOM 950 CD PRO A 63 -15.836 0.873 0.073 1.00 0.00 C ATOM 0 HA PRO A 63 -18.024 1.962 -2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.837 3.487 0.177 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.732 1.983 0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.152 2.527 1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.255 1.187 1.670 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.786 1.133 0.209 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.945 -0.174 0.358 1.00 0.00 H new ATOM 997 N ARG A 68 -13.473 11.225 -3.883 1.00 0.00 N ATOM 998 CA ARG A 68 -12.684 10.397 -2.987 1.00 0.00 C ATOM 999 C ARG A 68 -11.819 9.422 -3.789 1.00 0.00 C ATOM 1000 O ARG A 68 -12.266 8.874 -4.795 1.00 0.00 O ATOM 1001 CB ARG A 68 -13.582 9.606 -2.034 1.00 0.00 C ATOM 1002 CG ARG A 68 -12.748 8.823 -1.018 1.00 0.00 C ATOM 1003 CD ARG A 68 -13.556 8.534 0.249 1.00 0.00 C ATOM 1004 NE ARG A 68 -14.564 7.484 -0.023 1.00 0.00 N ATOM 1005 CZ ARG A 68 -15.408 6.997 0.897 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -15.371 7.463 2.153 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -16.288 6.044 0.561 1.00 0.00 N ATOM 0 HA ARG A 68 -12.045 11.058 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.253 10.288 -1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.207 8.918 -2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.414 7.885 -1.462 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -11.854 9.391 -0.762 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.890 8.212 1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.049 9.444 0.591 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.619 7.108 -0.970 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.701 8.188 2.408 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.013 7.093 2.854 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.315 5.689 -0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.930 5.673 1.261 1.00 0.00 H new ATOM 1021 N THR A 69 -10.597 9.236 -3.313 1.00 0.00 N ATOM 1022 CA THR A 69 -9.646 8.383 -4.006 1.00 0.00 C ATOM 1023 C THR A 69 -9.333 7.143 -3.166 1.00 0.00 C ATOM 1024 O THR A 69 -9.610 7.114 -1.968 1.00 0.00 O ATOM 1025 CB THR A 69 -8.410 9.222 -4.335 1.00 0.00 C ATOM 1026 OG1 THR A 69 -8.944 10.451 -4.819 1.00 0.00 O ATOM 1027 CG2 THR A 69 -7.624 8.664 -5.523 1.00 0.00 C ATOM 0 H THR A 69 -10.243 9.661 -2.456 1.00 0.00 H new ATOM 0 HA THR A 69 -10.060 8.008 -4.942 1.00 0.00 H new ATOM 0 HB THR A 69 -7.761 9.271 -3.461 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.210 11.056 -5.055 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.757 9.296 -5.715 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.292 7.651 -5.296 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.263 8.647 -6.406 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.759 6.149 -3.828 1.00 0.00 N ATOM 1036 CA TRP A 70 -8.265 4.973 -3.132 1.00 0.00 C ATOM 1037 C TRP A 70 -6.809 4.754 -3.550 1.00 0.00 C ATOM 1038 O TRP A 70 -6.479 4.843 -4.731 1.00 0.00 O ATOM 1039 CB TRP A 70 -9.154 3.759 -3.406 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.538 3.842 -2.757 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.610 4.522 -3.186 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.957 3.192 -1.539 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.685 4.358 -2.336 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -12.275 3.524 -1.303 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -10.245 2.352 -0.665 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.996 3.060 -0.196 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.980 1.896 0.436 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -12.308 2.221 0.688 1.00 0.00 C ATOM 0 H TRP A 70 -8.625 6.134 -4.839 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.300 5.121 -2.053 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -9.275 3.646 -4.483 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.648 2.863 -3.046 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.630 5.122 -4.083 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.610 4.773 -2.446 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.213 2.080 -0.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -14.028 3.335 -0.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.480 1.246 1.139 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.806 1.828 1.562 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.978 4.472 -2.557 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.558 4.282 -2.801 1.00 0.00 C ATOM 1061 C ARG A 71 -4.067 3.008 -2.111 1.00 0.00 C ATOM 1062 O ARG A 71 -4.569 2.639 -1.050 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.747 5.475 -2.291 1.00 0.00 C ATOM 1064 CG ARG A 71 -4.135 6.757 -3.030 1.00 0.00 C ATOM 1065 CD ARG A 71 -3.445 7.976 -2.413 1.00 0.00 C ATOM 1066 NE ARG A 71 -2.004 7.965 -2.750 1.00 0.00 N ATOM 1067 CZ ARG A 71 -1.122 8.871 -2.305 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -1.522 9.843 -1.473 1.00 0.00 N ATOM 1069 NH2 ARG A 71 0.159 8.805 -2.691 1.00 0.00 N ATOM 0 H ARG A 71 -6.261 4.371 -1.582 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.415 4.194 -3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.914 5.603 -1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.683 5.281 -2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.860 6.672 -4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.216 6.889 -2.993 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.907 8.892 -2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.574 7.968 -1.331 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.661 7.222 -3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.497 9.893 -1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.851 10.533 -1.134 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.464 8.065 -3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.830 9.495 -2.352 1.00 0.00 H new ATOM 1083 N GLU A 72 -3.091 2.370 -2.741 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.647 1.059 -2.300 1.00 0.00 C ATOM 1085 C GLU A 72 -1.190 1.121 -1.836 1.00 0.00 C ATOM 1086 O GLU A 72 -0.476 2.073 -2.146 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.827 0.018 -3.406 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.840 0.259 -4.551 1.00 0.00 C ATOM 1089 CD GLU A 72 -2.039 -0.765 -5.671 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -2.103 -1.967 -5.336 1.00 0.00 O ATOM 1091 OE2 GLU A 72 -2.123 -0.321 -6.837 1.00 0.00 O ATOM 0 H GLU A 72 -2.595 2.737 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.264 0.753 -1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.679 -0.982 -2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.848 0.059 -3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.974 1.266 -4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.819 0.198 -4.175 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.793 0.093 -1.101 1.00 0.00 N ATOM 1099 CA ALA A 73 0.584 -0.016 -0.648 1.00 0.00 C ATOM 1100 C ALA A 73 0.911 -1.485 -0.372 1.00 0.00 C ATOM 1101 O ALA A 73 0.023 -2.272 -0.048 1.00 0.00 O ATOM 1102 CB ALA A 73 0.787 0.868 0.585 1.00 0.00 C ATOM 0 H ALA A 73 -1.400 -0.672 -0.808 1.00 0.00 H new ATOM 0 HA ALA A 73 1.270 0.335 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.819 0.787 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.570 1.905 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.116 0.543 1.380 1.00 0.00 H new ATOM 1108 N ASP A 74 2.188 -1.809 -0.510 1.00 0.00 N ATOM 1109 CA ASP A 74 2.637 -3.178 -0.321 1.00 0.00 C ATOM 1110 C ASP A 74 2.668 -3.497 1.175 1.00 0.00 C ATOM 1111 O ASP A 74 2.984 -2.633 1.992 1.00 0.00 O ATOM 1112 CB ASP A 74 4.049 -3.376 -0.876 1.00 0.00 C ATOM 1113 CG ASP A 74 4.172 -3.239 -2.395 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.115 -3.052 -3.035 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.320 -3.325 -2.881 1.00 0.00 O ATOM 0 H ASP A 74 2.926 -1.147 -0.750 1.00 0.00 H new ATOM 0 HA ASP A 74 1.947 -3.836 -0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.713 -2.650 -0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.402 -4.366 -0.586 1.00 0.00 H new ATOM 1120 N ILE A 75 2.336 -4.741 1.489 1.00 0.00 N ATOM 1121 CA ILE A 75 2.468 -5.229 2.851 1.00 0.00 C ATOM 1122 C ILE A 75 3.388 -6.452 2.863 1.00 0.00 C ATOM 1123 O ILE A 75 3.456 -7.191 1.883 1.00 0.00 O ATOM 1124 CB ILE A 75 1.090 -5.491 3.463 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.174 -4.278 3.287 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.212 -5.910 4.929 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.538 -3.168 4.275 1.00 0.00 C ATOM 0 H ILE A 75 1.976 -5.425 0.824 1.00 0.00 H new ATOM 0 HA ILE A 75 2.933 -4.472 3.483 1.00 0.00 H new ATOM 0 HB ILE A 75 0.630 -6.322 2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.254 -3.902 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.864 -4.577 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.219 -6.090 5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.804 -6.822 4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.700 -5.117 5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.128 -2.318 4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.433 -3.540 5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.568 -2.855 4.107 1.00 0.00 H new ATOM 1139 N ASN A 76 4.073 -6.626 3.984 1.00 0.00 N ATOM 1140 CA ASN A 76 5.035 -7.708 4.112 1.00 0.00 C ATOM 1141 C ASN A 76 6.180 -7.486 3.122 1.00 0.00 C ATOM 1142 O ASN A 76 5.958 -7.427 1.913 1.00 0.00 O ATOM 1143 CB ASN A 76 4.391 -9.059 3.795 1.00 0.00 C ATOM 1144 CG ASN A 76 3.135 -9.278 4.640 1.00 0.00 C ATOM 1145 OD1 ASN A 76 3.193 -9.590 5.818 1.00 0.00 O ATOM 1146 ND2 ASN A 76 1.997 -9.099 3.974 1.00 0.00 N ATOM 0 H ASN A 76 3.981 -6.036 4.811 1.00 0.00 H new ATOM 0 HA ASN A 76 5.399 -7.715 5.139 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.134 -9.104 2.737 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.106 -9.860 3.984 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.103 -9.223 4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.019 -8.838 2.988 1.00 0.00 H new ATOM 1266 N ALA A 84 1.156 -9.654 -3.688 1.00 0.00 N ATOM 1267 CA ALA A 84 -0.245 -9.336 -3.906 1.00 0.00 C ATOM 1268 C ALA A 84 -0.892 -8.962 -2.571 1.00 0.00 C ATOM 1269 O ALA A 84 -2.061 -8.581 -2.529 1.00 0.00 O ATOM 1270 CB ALA A 84 -0.939 -10.523 -4.578 1.00 0.00 C ATOM 0 HA ALA A 84 -0.345 -8.479 -4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.990 -10.285 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.460 -10.730 -5.535 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.862 -11.401 -3.936 1.00 0.00 H new ATOM 1276 N ASP A 85 -0.104 -9.083 -1.513 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.592 -8.784 -0.178 1.00 0.00 C ATOM 1278 C ASP A 85 -0.449 -7.284 0.089 1.00 0.00 C ATOM 1279 O ASP A 85 0.654 -6.795 0.329 1.00 0.00 O ATOM 1280 CB ASP A 85 0.216 -9.532 0.885 1.00 0.00 C ATOM 1281 CG ASP A 85 0.003 -11.047 0.911 1.00 0.00 C ATOM 1282 OD1 ASP A 85 0.386 -11.691 -0.090 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.538 -11.527 1.930 1.00 0.00 O ATOM 0 H ASP A 85 0.870 -9.384 -1.553 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.635 -9.095 -0.123 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.275 -9.332 0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.038 -9.127 1.865 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.579 -6.596 0.037 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.569 -5.146 -0.066 1.00 0.00 C ATOM 1290 C ARG A 86 -2.662 -4.544 0.819 1.00 0.00 C ATOM 1291 O ARG A 86 -3.637 -5.216 1.151 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.786 -4.695 -1.512 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.672 -5.217 -2.422 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.737 -4.558 -3.801 1.00 0.00 C ATOM 1295 NE ARG A 86 0.268 -5.166 -4.700 1.00 0.00 N ATOM 1296 CZ ARG A 86 0.479 -4.775 -5.965 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -0.249 -3.780 -6.489 1.00 0.00 N ATOM 1298 NH2 ARG A 86 1.419 -5.380 -6.705 1.00 0.00 N ATOM 0 H ARG A 86 -2.508 -7.015 0.064 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.592 -4.796 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.751 -5.056 -1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.817 -3.606 -1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.298 -5.019 -1.966 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.760 -6.298 -2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.735 -4.677 -4.224 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.555 -3.487 -3.710 1.00 0.00 H new ATOM 0 HE ARG A 86 0.836 -5.930 -4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.964 -3.320 -5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.088 -3.483 -7.451 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.973 -6.137 -6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.580 -5.083 -7.667 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.463 -3.283 1.175 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.455 -2.559 1.951 1.00 0.00 C ATOM 1314 C LEU A 87 -3.986 -1.386 1.125 1.00 0.00 C ATOM 1315 O LEU A 87 -3.208 -0.599 0.586 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.878 -2.146 3.306 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.869 -1.533 4.298 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -4.529 -2.616 5.153 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.194 -0.459 5.154 1.00 0.00 C ATOM 0 H LEU A 87 -1.629 -2.744 0.940 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.306 -3.202 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.427 -3.023 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.076 -1.428 3.134 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.661 -1.043 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.229 -2.154 5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.066 -3.312 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.764 -3.155 5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.920 -0.039 5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.370 -0.903 5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.810 0.332 4.510 1.00 0.00 H new ATOM 1331 N VAL A 88 -5.306 -1.304 1.051 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.949 -0.318 0.199 1.00 0.00 C ATOM 1333 C VAL A 88 -6.871 0.560 1.047 1.00 0.00 C ATOM 1334 O VAL A 88 -7.811 0.063 1.665 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.679 -1.016 -0.950 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -7.025 -0.025 -2.063 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.855 -2.185 -1.494 1.00 0.00 C ATOM 0 H VAL A 88 -5.948 -1.905 1.568 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.205 0.336 -0.256 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.613 -1.418 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.543 -0.547 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.669 0.759 -1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.109 0.421 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.397 -2.664 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.898 -1.815 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.683 -2.910 -0.698 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.568 1.849 1.051 1.00 0.00 N ATOM 1348 CA TYR A 89 -7.212 2.767 1.976 1.00 0.00 C ATOM 1349 C TYR A 89 -7.751 3.997 1.243 1.00 0.00 C ATOM 1350 O TYR A 89 -7.222 4.385 0.203 1.00 0.00 O ATOM 1351 CB TYR A 89 -6.124 3.208 2.957 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.905 3.846 2.289 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -4.895 5.199 2.018 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -3.814 3.068 1.957 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -3.747 5.799 1.389 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -2.666 3.668 1.327 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.690 5.004 1.075 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.605 5.571 0.480 1.00 0.00 O ATOM 0 H TYR A 89 -5.885 2.280 0.428 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.053 2.284 2.473 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.552 3.919 3.663 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.798 2.343 3.535 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.748 5.808 2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.821 2.009 2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.726 6.857 1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.806 3.071 1.061 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.521 6.503 0.772 1.00 0.00 H new ATOM 1368 N SER A 90 -8.796 4.576 1.815 1.00 0.00 N ATOM 1369 CA SER A 90 -9.456 5.711 1.192 1.00 0.00 C ATOM 1370 C SER A 90 -8.853 7.017 1.713 1.00 0.00 C ATOM 1371 O SER A 90 -8.018 7.003 2.616 1.00 0.00 O ATOM 1372 CB SER A 90 -10.964 5.682 1.452 1.00 0.00 C ATOM 1373 OG SER A 90 -11.277 5.988 2.808 1.00 0.00 O ATOM 0 H SER A 90 -9.202 4.281 2.703 1.00 0.00 H new ATOM 0 HA SER A 90 -9.299 5.649 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.459 6.397 0.795 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.356 4.696 1.203 1.00 0.00 H new ATOM 0 HG SER A 90 -11.843 6.787 2.841 1.00 0.00 H new ATOM 1379 N SER A 91 -9.299 8.115 1.121 1.00 0.00 N ATOM 1380 CA SER A 91 -8.776 9.423 1.477 1.00 0.00 C ATOM 1381 C SER A 91 -9.021 9.698 2.962 1.00 0.00 C ATOM 1382 O SER A 91 -8.141 10.202 3.657 1.00 0.00 O ATOM 1383 CB SER A 91 -9.411 10.522 0.623 1.00 0.00 C ATOM 1384 OG SER A 91 -9.125 10.353 -0.763 1.00 0.00 O ATOM 0 H SER A 91 -10.017 8.126 0.397 1.00 0.00 H new ATOM 0 HA SER A 91 -7.703 9.425 1.285 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.491 10.520 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.045 11.494 0.953 1.00 0.00 H new ATOM 0 HG SER A 91 -9.549 11.073 -1.275 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.222 9.353 3.405 1.00 0.00 N ATOM 1391 CA ASP A 92 -10.624 9.634 4.772 1.00 0.00 C ATOM 1392 C ASP A 92 -10.360 8.402 5.640 1.00 0.00 C ATOM 1393 O ASP A 92 -10.900 8.285 6.739 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.118 9.957 4.852 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.050 8.782 4.551 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -12.880 8.186 3.465 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -13.912 8.506 5.413 1.00 0.00 O ATOM 0 H ASP A 92 -10.929 8.882 2.841 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.050 10.492 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.341 10.331 5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.338 10.764 4.153 1.00 0.00 H new ATOM 1402 N TRP A 93 -9.528 7.514 5.114 1.00 0.00 N ATOM 1403 CA TRP A 93 -8.948 6.459 5.927 1.00 0.00 C ATOM 1404 C TRP A 93 -10.067 5.489 6.311 1.00 0.00 C ATOM 1405 O TRP A 93 -10.291 5.229 7.492 1.00 0.00 O ATOM 1406 CB TRP A 93 -8.219 7.039 7.140 1.00 0.00 C ATOM 1407 CG TRP A 93 -7.488 8.354 6.857 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -7.688 9.549 7.430 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -6.427 8.559 5.901 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -6.836 10.505 6.915 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.045 9.884 5.956 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -5.809 7.654 5.019 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.032 10.424 5.155 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -4.799 8.210 4.225 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.403 9.541 4.268 1.00 0.00 C ATOM 0 H TRP A 93 -9.242 7.504 4.135 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.190 5.913 5.366 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.940 7.201 7.941 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.499 6.306 7.503 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.423 9.740 8.198 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -6.795 11.487 7.188 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.091 6.613 4.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.751 11.465 5.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.292 7.558 3.530 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.614 9.893 3.620 1.00 0.00 H new ATOM 1426 N LEU A 94 -10.741 4.979 5.290 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.466 3.727 5.422 1.00 0.00 C ATOM 1428 C LEU A 94 -10.654 2.603 4.774 1.00 0.00 C ATOM 1429 O LEU A 94 -10.341 2.664 3.586 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.882 3.865 4.861 1.00 0.00 C ATOM 1431 CG LEU A 94 -13.898 4.561 5.768 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -14.961 5.290 4.944 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.519 3.572 6.757 1.00 0.00 C ATOM 0 H LEU A 94 -10.800 5.411 4.368 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.590 3.467 6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.827 4.415 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.257 2.869 4.626 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.372 5.315 6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.670 5.776 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.482 6.041 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.489 4.573 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.238 4.093 7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.027 2.779 6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.735 3.139 7.379 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.338 1.602 5.583 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.203 0.740 5.299 1.00 0.00 C ATOM 1447 C ILE A 95 -9.704 -0.676 5.010 1.00 0.00 C ATOM 1448 O ILE A 95 -10.603 -1.171 5.688 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.180 0.810 6.434 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -8.039 2.241 6.958 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.836 0.225 5.997 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -6.853 2.360 7.917 1.00 0.00 C ATOM 0 H ILE A 95 -10.848 1.369 6.435 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.679 1.082 4.407 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.544 0.199 7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.905 2.927 6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.955 2.537 7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.127 0.287 6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.969 -0.818 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.453 0.789 5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.776 3.387 8.274 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.002 1.691 8.765 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.935 2.087 7.396 1.00 0.00 H new ATOM 1464 N TYR A 96 -9.102 -1.288 4.001 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.370 -2.685 3.705 1.00 0.00 C ATOM 1466 C TYR A 96 -8.093 -3.408 3.272 1.00 0.00 C ATOM 1467 O TYR A 96 -7.270 -2.845 2.552 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.363 -2.687 2.541 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.768 -2.213 2.921 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -12.027 -0.865 3.060 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.775 -3.135 3.124 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.349 -0.420 3.418 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -14.097 -2.690 3.482 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.319 -1.354 3.611 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.567 -0.934 3.949 1.00 0.00 O ATOM 0 H TYR A 96 -8.429 -0.842 3.378 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.758 -3.196 4.586 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.977 -2.048 1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.429 -3.696 2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.239 -0.144 2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.571 -4.190 3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.566 0.632 3.531 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.894 -3.401 3.644 1.00 0.00 H new ATOM 0 HH TYR A 96 -16.156 -1.710 4.054 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.969 -4.646 3.728 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.804 -5.451 3.401 1.00 0.00 C ATOM 1487 C LYS A 97 -7.167 -6.436 2.288 1.00 0.00 C ATOM 1488 O LYS A 97 -8.345 -6.687 2.036 1.00 0.00 O ATOM 1489 CB LYS A 97 -6.245 -6.120 4.657 1.00 0.00 C ATOM 1490 CG LYS A 97 -7.169 -7.240 5.139 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.566 -8.615 4.842 1.00 0.00 C ATOM 1492 CE LYS A 97 -5.488 -8.974 5.867 1.00 0.00 C ATOM 1493 NZ LYS A 97 -6.104 -9.526 7.094 1.00 0.00 N ATOM 0 H LYS A 97 -8.656 -5.111 4.321 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.000 -4.821 3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.255 -6.525 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.125 -5.378 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.341 -7.138 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.139 -7.151 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.351 -9.371 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.136 -8.619 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.799 -9.702 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.903 -8.088 6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.359 -9.764 7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.743 -8.819 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.643 -10.383 6.856 1.00 0.00 H new ATOM 1507 N THR A 98 -6.134 -6.970 1.653 1.00 0.00 N ATOM 1508 CA THR A 98 -6.322 -8.019 0.666 1.00 0.00 C ATOM 1509 C THR A 98 -5.042 -8.844 0.514 1.00 0.00 C ATOM 1510 O THR A 98 -3.939 -8.307 0.601 1.00 0.00 O ATOM 1511 CB THR A 98 -6.782 -7.365 -0.638 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.750 -8.426 -1.589 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.769 -6.353 -1.175 1.00 0.00 C ATOM 0 H THR A 98 -5.163 -6.695 1.803 1.00 0.00 H new ATOM 0 HA THR A 98 -7.091 -8.725 0.981 1.00 0.00 H new ATOM 0 HB THR A 98 -7.739 -6.869 -0.477 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.660 -8.759 -1.739 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.145 -5.919 -2.101 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.618 -5.563 -0.439 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.821 -6.855 -1.368 1.00 0.00 H new ATOM 1521 N THR A 99 -5.232 -10.136 0.290 1.00 0.00 N ATOM 1522 CA THR A 99 -4.120 -11.008 -0.047 1.00 0.00 C ATOM 1523 C THR A 99 -4.306 -11.591 -1.450 1.00 0.00 C ATOM 1524 O THR A 99 -3.458 -12.340 -1.932 1.00 0.00 O ATOM 1525 CB THR A 99 -4.008 -12.075 1.044 1.00 0.00 C ATOM 1526 OG1 THR A 99 -5.270 -12.737 1.013 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.938 -11.471 2.448 1.00 0.00 C ATOM 0 H THR A 99 -6.139 -10.600 0.335 1.00 0.00 H new ATOM 0 HA THR A 99 -3.181 -10.456 -0.080 1.00 0.00 H new ATOM 0 HB THR A 99 -3.122 -12.684 0.866 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.284 -13.447 1.689 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.859 -12.271 3.185 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.065 -10.822 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.840 -10.889 2.639 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.420 -11.224 -2.066 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.893 -11.933 -3.242 1.00 0.00 C ATOM 1537 C ASP A 100 -5.865 -10.990 -4.447 1.00 0.00 C ATOM 1538 O ASP A 100 -6.695 -11.103 -5.347 1.00 0.00 O ATOM 1539 CB ASP A 100 -7.333 -12.415 -3.053 1.00 0.00 C ATOM 1540 CG ASP A 100 -8.279 -11.393 -2.419 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -8.311 -10.254 -2.932 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.948 -11.774 -1.434 1.00 0.00 O ATOM 0 H ASP A 100 -6.009 -10.445 -1.772 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.242 -12.793 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.734 -12.705 -4.024 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.322 -13.311 -2.433 1.00 0.00 H new ATOM 1547 N HIS A 101 -4.900 -10.082 -4.424 1.00 0.00 N ATOM 1548 CA HIS A 101 -4.656 -9.221 -5.569 1.00 0.00 C ATOM 1549 C HIS A 101 -5.843 -8.275 -5.761 1.00 0.00 C ATOM 1550 O HIS A 101 -6.407 -8.195 -6.851 1.00 0.00 O ATOM 1551 CB HIS A 101 -4.351 -10.051 -6.817 1.00 0.00 C ATOM 1552 CG HIS A 101 -3.597 -9.296 -7.887 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -4.138 -9.018 -9.130 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -2.341 -8.765 -7.885 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -3.239 -8.350 -9.837 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -2.125 -8.195 -9.064 1.00 0.00 N ATOM 0 H HIS A 101 -4.278 -9.924 -3.631 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.773 -8.608 -5.387 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.770 -10.926 -6.526 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -5.289 -10.416 -7.236 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -5.070 -9.283 -9.448 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -1.641 -8.802 -7.064 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -3.365 -7.991 -10.848 1.00 0.00 H new ATOM 1564 N TYR A 102 -6.186 -7.581 -4.686 1.00 0.00 N ATOM 1565 CA TYR A 102 -7.405 -6.791 -4.663 1.00 0.00 C ATOM 1566 C TYR A 102 -8.468 -7.396 -5.582 1.00 0.00 C ATOM 1567 O TYR A 102 -8.874 -6.773 -6.561 1.00 0.00 O ATOM 1568 CB TYR A 102 -7.021 -5.407 -5.189 1.00 0.00 C ATOM 1569 CG TYR A 102 -5.915 -5.428 -6.246 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -4.591 -5.461 -5.858 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -6.241 -5.413 -7.586 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -3.549 -5.481 -6.852 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -5.199 -5.433 -8.581 1.00 0.00 C ATOM 1574 CZ TYR A 102 -3.905 -5.466 -8.165 1.00 0.00 C ATOM 1575 OH TYR A 102 -2.922 -5.484 -9.104 1.00 0.00 O ATOM 0 H TYR A 102 -5.641 -7.549 -3.824 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.820 -6.755 -3.656 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.906 -4.932 -5.613 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.698 -4.788 -4.352 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.336 -5.472 -4.809 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.277 -5.386 -7.889 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.509 -5.507 -6.562 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -5.440 -5.422 -9.634 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.325 -6.243 -8.938 1.00 0.00 H new ATOM 1585 N ALA A 103 -8.888 -8.604 -5.233 1.00 0.00 N ATOM 1586 CA ALA A 103 -10.107 -9.162 -5.792 1.00 0.00 C ATOM 1587 C ALA A 103 -11.246 -9.002 -4.783 1.00 0.00 C ATOM 1588 O ALA A 103 -12.316 -8.501 -5.123 1.00 0.00 O ATOM 1589 CB ALA A 103 -9.870 -10.624 -6.176 1.00 0.00 C ATOM 0 H ALA A 103 -8.406 -9.211 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.392 -8.629 -6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.785 -11.043 -6.595 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.072 -10.681 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.584 -11.191 -5.290 1.00 0.00 H new ATOM 1595 N THR A 104 -10.976 -9.436 -3.560 1.00 0.00 N ATOM 1596 CA THR A 104 -11.905 -9.216 -2.465 1.00 0.00 C ATOM 1597 C THR A 104 -11.171 -8.652 -1.248 1.00 0.00 C ATOM 1598 O THR A 104 -9.943 -8.689 -1.187 1.00 0.00 O ATOM 1599 CB THR A 104 -12.625 -10.536 -2.183 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.574 -11.496 -2.109 1.00 0.00 O ATOM 1601 CG2 THR A 104 -13.475 -11.004 -3.366 1.00 0.00 C ATOM 0 H THR A 104 -10.127 -9.939 -3.304 1.00 0.00 H new ATOM 0 HA THR A 104 -12.655 -8.470 -2.727 1.00 0.00 H new ATOM 0 HB THR A 104 -13.259 -10.423 -1.303 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.782 -11.083 -1.707 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.964 -11.945 -3.113 1.00 0.00 H new ATOM 0 HG22 THR A 104 -14.231 -10.251 -3.591 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.837 -11.150 -4.238 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.953 -8.142 -0.308 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.422 -7.241 0.701 1.00 0.00 C ATOM 1611 C PHE A 105 -12.037 -7.529 2.072 1.00 0.00 C ATOM 1612 O PHE A 105 -13.091 -8.157 2.164 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.799 -5.821 0.274 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.970 -5.280 -0.892 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -9.745 -4.736 -0.661 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -11.457 -5.345 -2.160 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -8.975 -4.234 -1.744 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -10.687 -4.844 -3.243 1.00 0.00 C ATOM 1619 CZ PHE A 105 -9.463 -4.299 -3.012 1.00 0.00 C ATOM 0 H PHE A 105 -12.951 -8.336 -0.224 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.343 -7.369 0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.853 -5.804 -0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.684 -5.154 1.128 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.358 -4.686 0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -12.429 -5.778 -2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.003 -3.801 -1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -11.074 -4.896 -4.250 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.878 -3.917 -3.836 1.00 0.00 H new ATOM 1629 N THR A 106 -11.352 -7.057 3.103 1.00 0.00 N ATOM 1630 CA THR A 106 -11.914 -7.069 4.443 1.00 0.00 C ATOM 1631 C THR A 106 -11.528 -5.793 5.194 1.00 0.00 C ATOM 1632 O THR A 106 -10.363 -5.398 5.195 1.00 0.00 O ATOM 1633 CB THR A 106 -11.448 -8.349 5.139 1.00 0.00 C ATOM 1634 OG1 THR A 106 -12.065 -9.395 4.393 1.00 0.00 O ATOM 1635 CG2 THR A 106 -12.036 -8.498 6.544 1.00 0.00 C ATOM 0 H THR A 106 -10.413 -6.664 3.038 1.00 0.00 H new ATOM 0 HA THR A 106 -13.004 -7.075 4.416 1.00 0.00 H new ATOM 0 HB THR A 106 -10.360 -8.354 5.198 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.814 -10.262 4.776 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.674 -9.422 6.994 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.730 -7.651 7.158 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.124 -8.527 6.482 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.528 -5.185 5.815 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.303 -3.975 6.588 1.00 0.00 C ATOM 1645 C ARG A 107 -11.614 -4.312 7.912 1.00 0.00 C ATOM 1646 O ARG A 107 -12.067 -5.189 8.646 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.621 -3.253 6.876 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.368 -1.821 7.351 1.00 0.00 C ATOM 1649 CD ARG A 107 -14.682 -1.121 7.706 1.00 0.00 C ATOM 1650 NE ARG A 107 -14.406 0.220 8.266 1.00 0.00 N ATOM 1651 CZ ARG A 107 -15.292 0.937 8.971 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -16.586 0.588 8.973 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -14.885 2.003 9.674 1.00 0.00 N ATOM 0 H ARG A 107 -13.496 -5.507 5.799 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.663 -3.318 5.998 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.236 -3.238 5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.180 -3.799 7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.712 -1.833 8.221 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.853 -1.261 6.571 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.307 -1.031 6.818 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.238 -1.718 8.428 1.00 0.00 H new ATOM 0 HE ARG A 107 -13.483 0.624 8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.896 -0.223 8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.261 1.134 9.510 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -13.900 2.269 9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -15.560 2.548 10.210 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.531 -3.597 8.178 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.805 -3.772 9.425 1.00 0.00 C ATOM 1669 C ILE A 108 -9.940 -2.504 10.270 1.00 0.00 C ATOM 1670 O ILE A 108 -9.788 -2.548 11.490 1.00 0.00 O ATOM 1671 CB ILE A 108 -8.356 -4.176 9.149 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.394 -3.039 9.501 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -8.183 -4.646 7.703 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.387 -1.968 8.408 1.00 0.00 C ATOM 0 H ILE A 108 -10.138 -2.895 7.551 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.234 -4.589 10.005 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.108 -5.020 9.793 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.686 -2.592 10.451 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.388 -3.437 9.632 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.144 -4.927 7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.826 -5.507 7.521 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.456 -3.839 7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.695 -1.172 8.683 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.071 -2.413 7.464 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.390 -1.555 8.297 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.225 -1.404 9.589 1.00 0.00 N ATOM 1687 CA ARG A 109 -10.455 -0.141 10.269 1.00 0.00 C ATOM 1688 C ARG A 109 -11.327 0.775 9.407 1.00 0.00 C ATOM 1689 O ARG A 109 -12.174 1.476 10.002 1.00 0.00 O ATOM 1690 CB ARG A 109 -9.135 0.567 10.578 1.00 0.00 C ATOM 1691 CG ARG A 109 -9.382 1.971 11.135 1.00 0.00 C ATOM 1692 CD ARG A 109 -10.138 1.908 12.464 1.00 0.00 C ATOM 1693 NE ARG A 109 -10.265 3.266 13.038 1.00 0.00 N ATOM 1694 CZ ARG A 109 -11.093 4.208 12.565 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -11.942 3.915 11.571 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -11.070 5.442 13.086 1.00 0.00 N ATOM 0 H ARG A 109 -10.302 -1.361 8.573 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.966 -0.358 11.207 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.564 -0.019 11.299 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.533 0.632 9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.430 2.482 11.278 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -9.953 2.557 10.415 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.127 1.475 12.310 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.611 1.257 13.161 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.686 3.500 13.844 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.958 2.975 11.174 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.572 4.632 11.211 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -10.423 5.664 13.842 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.700 6.159 12.726 1.00 0.00 H new